
 CHEMBL1765114

 46 47  0  0  0  0  0  0  0  0999 V2000
   -1.1287    4.9380    5.9349 C   0  0  0  0  0
   -0.3628    4.7316    4.8632 C   0  0  0  0  0
   -0.3739    3.5361    4.1680 N   0  0  0  0  0
   -1.2238    2.4998    4.5382 C   0  0  0  0  0
   -1.3312    1.4571    3.8917 O   0  0  0  0  0
   -1.9689    2.7069    5.6671 N   0  0  0  0  0
   -1.9967    3.8518    6.4090 C   0  0  0  0  0
   -2.6944    3.9872    7.4068 O   0  0  0  0  0
    0.5093    3.2899    3.0208 C   0  0  0  0  0
   -0.1663    3.3746    1.6396 C   0  0  0  0  0
    0.0575    4.8292    1.2770 C   0  0  0  0  0
    1.4181    5.1389    1.8951 C   0  0  0  0  0
    1.5967    4.2376    3.0123 O   0  0  0  0  0
    2.6322    5.0530    0.9701 C   0  0  0  0  0
    2.7763    3.7613    0.3969 O   0  0  0  0  0
    3.8577    3.5866   -0.7796 P   0  0  0  0  0
    4.0002    2.2007   -1.3003 O   0  0  0  0  0
    3.3058    4.5939   -1.8924 O   0  0  0  0  0
    5.1754    4.2995   -0.2442 O   0  0  0  0  0
    6.6425    4.2284   -0.8673 P   0  0  0  0  0
    7.2028    2.8400   -0.9182 O   0  0  0  0  0
    6.7451    5.2489   -2.3525 C   0  0  0  0  0
    6.3500    7.0084   -2.2445 P   0  0  0  0  0
    7.2585    7.9299   -1.4935 O   0  0  0  0  0
    6.1370    7.5721   -3.7404 O   0  0  0  0  0
    4.8509    7.1682   -1.6871 O   0  0  0  0  0
    8.4779    5.1741   -2.9172 Cl  0  0  0  0  0
    5.7844    4.4688   -3.6572 Cl  0  0  0  0  0
    7.4537    5.0455    0.2725 O   0  0  0  0  0
   -0.0288    5.0650   -0.1217 O   0  0  0  0  0
   -1.5524    3.0479    1.5739 O   0  0  0  0  0
   -1.1337    5.8653    6.4926 H   0  0  0  0  0
    0.3017    5.5161    4.5167 H   0  0  0  0  0
   -2.5734    1.9571    5.9634 H   0  0  0  0  0
    0.9411    2.2913    3.1518 H   0  0  0  0  0
    0.3523    2.7307    0.9214 H   0  0  0  0  0
   -0.7119    5.4509    1.7524 H   0  0  0  0  0
    1.3991    6.1547    2.3073 H   0  0  0  0  0
    3.5364    5.2563    1.5534 H   0  0  0  0  0
    2.5518    5.8074    0.1809 H   0  0  0  0  0
    2.6324    4.1589   -2.4486 H   0  0  0  0  0
    6.1676    8.5461   -3.7928 H   0  0  0  0  0
    4.6335    8.0892   -1.4517 H   0  0  0  0  0
    7.6630    4.4773    1.0410 H   0  0  0  0  0
   -0.8928    4.6976   -0.3960 H   0  0  0  0  0
   -1.6653    2.1926    2.0386 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
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 11 37  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 20 29  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 28  1  0  0  0
 22 27  1  0  0  0
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 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
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 29 44  1  0  0  0
 30 45  1  0  0  0
 31 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1765114

>  <PubChem CID>
11534074

>  <Formula>
C10H15Cl2N2O14P3

>  <Molecular Weight>
551.051000

>  <IUPAC Name>
[dichloro-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid

>  <XlogP>
-4.700

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O

>  <InChI Std. ID>
InChI=1S/C10H15Cl2N2O14P3/c11-10(12,29(19,20)21)30(22,23)28-31(24,25)26-3-4-6(16)7(17)8(27-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1

>  <InChI Key>
KPTMPYLAZMDWPG-XVFCMESISA-N

